zinc bis(4-phenylbut-3-enoate)

C20H18O4Zn — CID 66673127

IUPACzinc bis(4-phenylbut-3-enoate)
SMILESO=C([O-])CC=Cc1ccccc1.O=C([O-])CC=Cc1ccccc1.[Zn+2]
InChIInChI=1S/2C10H10O2.Zn/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;/h2*1-7H,8H2,(H,11,12);/q;;+2/p-2
InChIKeyXOVDHBJLLPXURS-UHFFFAOYSA-L
MW387.75 g/mol
LogP1.68
Rot. Bonds6

About zinc bis(4-phenylbut-3-enoate)

zinc bis(4-phenylbut-3-enoate) (PubChem CID 66673127) has the molecular formula C20H18O4Zn and a molecular weight of 387.75 g/mol. Its IUPAC name is zinc bis(4-phenylbut-3-enoate).

Molecular Properties

Compound Namezinc bis(4-phenylbut-3-enoate)
PubChem CID66673127
Molecular FormulaC20H18O4Zn
Molecular Weight387.75 g/mol
Exact Mass386.05
IUPAC Namezinc bis(4-phenylbut-3-enoate)
SMILESO=C([O-])CC=Cc1ccccc1.O=C([O-])CC=Cc1ccccc1.[Zn+2]
InChIInChI=1S/2C10H10O2.Zn/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;/h2*1-7H,8H2,(H,11,12);/q;;+2/p-2
InChIKeyXOVDHBJLLPXURS-UHFFFAOYSA-L
XLogP1.68
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.75
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(E)-2-methylidene-5-phenylpent-4-enoate
CID 22242504
sodium 2-methylidene-5-phenylpent-4-enoate
CID 66780635
propanedioate;(E)-stilbene
CID 19773481
4-phenylbut-3-enehydrazide
CID 173237990
(E)-1-(4-acetylphenyl)-4-phenylbut-3-en-1-one
CID 46928519
[methyl-phenyl-(3-phenylprop-2-enyl)azaniumyl]formate
CID 67682452
(1E,7E)-5-hydroxy-1,8-diphenylocta-1,7-dien-4-one
CID 101237032
N,N-diethyl-4-phenylbut-3-enamide
CID 71333088
methyl 4-phenylbut-3-enoate;molecular nitrogen
CID 175524038
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
(E)-5-phenylpent-4-enoic acid
CID 5370650
4-phenylbut-3-enoic acid;prop-2-enenitrile
CID 67360679

Frequently Asked Questions

What is the IUPAC name of zinc bis(4-phenylbut-3-enoate)?
The IUPAC name of zinc bis(4-phenylbut-3-enoate) (CID 66673127) is zinc bis(4-phenylbut-3-enoate).
What is the SMILES notation for zinc bis(4-phenylbut-3-enoate)?
The canonical SMILES for zinc bis(4-phenylbut-3-enoate) is O=C([O-])CC=Cc1ccccc1.O=C([O-])CC=Cc1ccccc1.[Zn+2].
What is the InChIKey of zinc bis(4-phenylbut-3-enoate)?
The InChIKey is XOVDHBJLLPXURS-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H10O2.Zn/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;/h2*1-7H,8H2,(H,11,12);/q;;+2/p-2.
What are the key properties of zinc bis(4-phenylbut-3-enoate)?
zinc bis(4-phenylbut-3-enoate) has a molecular weight of 387.75 g/mol, XLogP of 1.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(4-phenylbut-3-enoate) is sourced from PubChem (CID 66673127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).